3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3344 |
| Compound Name: | 3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C25 H23 N5 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3ccccc3NC2=S)=O)cc1)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6742 |
| logD: | 3.665 |
| logSw: | -4.0173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.738 |
| InChI Key: | KCUQSBMAQCOPAA-UHFFFAOYSA-N |